Package chemaxon.clustering

package chemaxon.clustering
Provides classes for clustering.
  • Class
    Description
    ClusteringException
     
    Common
    Common superclass for JKlustor tools.
    Compare
    Compares two sets of objects (like compound libraries) using diversity and dissimilarity calculations.
    InvalidLicenseKeyException
     
    JarvisPatrick
    Performs variable-length Jarvis-Patrick clustering based on binary fingerprints (bits strings) and/or other data stored in a database table or a file.
    LibraryMCS
    Deprecated, for removal: This API element is subject to removal in a future version.
    This class has been renamed and moved to a new package, import and use it from its new location: LibraryMcs.
    NearestNeighbors
    Compares two sets of objects (like compound libraries) using diversity and dissimilarity calculations.
    Ward
    Uses Ward's minimum variance method for clustering molecules based on molecular fingerprints or other descriptors.